(2,4-dimethylphenyl)methyl-methyl-[(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]azanium

Systemtic Name: (2,4-dimethylphenyl)methyl-methyl-[(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]azanium Openeye Name: (2,4-dimethylphenyl)methyl-methyl-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]ammonium CAS Name: (2,4-dimethylphenyl)methyl-methyl-[(4-phenyl-5-sulfanylidene-1-tetrazolyl)methyl]ammonium IUPAC Name: (2,4-dimethylphenyl)methyl-methyl-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]azanium Traditional Name: (2,4-dimethylbenzyl)-methyl-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]ammonium Formula: C18H22N5S+ MolecularWeight: 340.46578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+](C)CN2C(=S)N(N=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+](C)CN2C(=S)N(N=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C18H21N5S/c1-14-9-10-16(15(2)11-14)12-21(3)13-22-18(24)23(20-19-22)17-7-5-4-6-8-17/h4-11H,12-13H2,1-3H3/p+1